2-methyloctyl 1-oxidanyl-4-phenyl-cyclohexa-2,5-diene-1-carboxylate

Systemtic Name: 2-methyloctyl 1-oxidanyl-4-phenyl-cyclohexa-2,5-diene-1-carboxylate Openeye Name: 2-methyloctyl 1-hydroxy-4-phenyl-cyclohexa-2,5-diene-1-carboxylate CAS Name: 1-hydroxy-4-phenyl-1-cyclohexa-2,5-dienecarboxylic acid 2-methyloctyl ester IUPAC Name: 2-methyloctyl 1-hydroxy-4-phenylcyclohexa-2,5-diene-1-carboxylate Traditional Name: 1-hydroxy-4-phenyl-cyclohexa-2,5-diene-1-carboxylic acid 2-methyloctyl ester Formula: C22H30O3 MolecularWeight: 342.4718

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)COC(=O)C1(C=CC(C=C1)C2=CC=CC=C2)O

Isomeric SMILES

CCCCCCC(C)COC(=O)C1(C=CC(C=C1)C2=CC=CC=C2)O

InChI

InChI=1S/C22H30O3/c1-3-4-5-7-10-18(2)17-25-21(23)22(24)15-13-20(14-16-22)19-11-8-6-9-12-19/h6,8-9,11-16,18,20,24H,3-5,7,10,17H2,1-2H3